streptorubin A

Properties Image MNX_ID MNXM1132392 reference metacycM:CPD-23498 formula C25H33N3O global charge 0 mol weight 391.559 InChIKey XEPVVPTUOMXJRW-GJQHCVRFSA-N InChI InChI=1S/C25H33N3O/c1-3-18-11-8-6-4-5-7-9-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-10-14-26-21/h10,13-18,26-27H,3-9,11-12H2,1-2H3/b24-16-/t18-/m1/s1 SMILES CC[C@@H]1CCCCCCCCC2=CC1=C(/C=C1\N=C(C3=CC=CN3)C=C1OC)N2 MNX internals InChI (mnx) InChI=1/C25H33N3O/c1-3-18-11-8-6-4-5-7-9-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-10-14-26-21/h10,13-18,26-27H,3-9,11-12H2,1-2H3/b24-16-/t18-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][C@@H:18]1[CH2:11][CH2:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:12][C:19]2=[CH:15][C:20]1=[C:22](/[CH:16]=[C:24]1/[C:25]([O:29][CH3:2])=[CH:17][C:23]([C:21]3=[CH:13][CH:10]=[CH:14][NH:26]3)=[N:28]1)[NH:27]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0